Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP1A1 | P05023 | 2/20 | 0.33 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.33 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.33 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.33 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.33 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.33 |
| ▸ | FXYD2 | P54710 | 2/20 | 0.33 |
| ▸ | ATP1A4 | Q13733 | 2/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL42360 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL29419406 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL3215239 | 0.72 | — | — | |
| SCHEMBL73173 | 0.70 | ATP1A1 (0.34) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL5482308 | 0.67 | ATP1A1 (0.34) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL283833 | 0.67 | — | — | |
| SCHEMBL15456431 | 0.66 | KEAP1 (0.33) | — | |
| SCHEMBL9063863 | 0.66 | ATP1A1 (0.32) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL5189141 | 0.65 | ATP1A1 (0.34) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL5551366 | 0.65 | ALDH1A1 (0.31) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2665787-A2 | NON-AQUEOUS POLYURETHANE COATING COMPOSITIONS | Bayer MaterialScience LLC (US) | 2013-11-27 | — | — | EP | claimed |
| WO-2012100024-A2 | NON-AQUEOUS POLYURETHANE COATING COMPOSITIONS | BAYER MATERIALSCIENCE LLC (US) | 2012-07-26 | — | — | WO | claimed |